PYRILAMINE

Search structure
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HPE317O9TL

Structure
InChI Key YECBIJXISLIIDS-UHFFFAOYSA-N
Smile COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
InChI
InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H23N3O
Molecular Weight 285.39
AlogP 2.66
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 28.6
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 300 - - -
Enzyme Hydrolase
- - - - 2.419-15.69
Enzyme
- 300 - - 2.419-15.69
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1100-12618.2 - 10337.8 -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 44.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 55
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 2976 - 1116 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
2.6 0.014-158.49 0.3162-1.445 0.432-5.011872336272715e+17 6-95
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1130 - 1774 -
Membrane receptor
2.6 0.014-158.49 0.3162-1.445 0.432-5.011872336272715e+17 6-95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 47 - 25 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6762
ChEMBL CHEMBL511
DrugBank DB06691
DrugCentral 2331
EPA CompTox DTXSID9023542
FDA SRS HPE317O9TL
Human Metabolome Database HMDB0015639
Guide to Pharmacology 3957
KEGG C11798
PharmGKB PA165817939
PubChem 4992
SureChEMBL SCHEMBL19114
ZINC ZINC000019144216
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